(E)-3-phenylprop-2-enamide;1-phenylpropylbenzene

C24H25NO — CID 142088142

IUPAC(E)-3-phenylprop-2-enamide;1-phenylpropylbenzene
SMILESCCC(c1ccccc1)c1ccccc1.NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C15H16.C9H9NO/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;10-9(11)7-6-8-4-2-1-3-5-8/h3-12,15H,2H2,1H3;1-7H,(H2,10,11)/b;7-6+
InChIKeyOYHNKQFNGYTONP-UETGHTDLSA-N
MW343.47 g/mol
LogP5.41
Rot. Bonds5

About (E)-3-phenylprop-2-enamide;1-phenylpropylbenzene

(E)-3-phenylprop-2-enamide;1-phenylpropylbenzene (PubChem CID 142088142) has the molecular formula C24H25NO and a molecular weight of 343.47 g/mol. Its IUPAC name is (E)-3-phenylprop-2-enamide;1-phenylpropylbenzene.

Molecular Properties

Compound Name(E)-3-phenylprop-2-enamide;1-phenylpropylbenzene
PubChem CID142088142
Molecular FormulaC24H25NO
Molecular Weight343.47 g/mol
Exact Mass343.19
IUPAC Name(E)-3-phenylprop-2-enamide;1-phenylpropylbenzene
SMILESCCC(c1ccccc1)c1ccccc1.NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C15H16.C9H9NO/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;10-9(11)7-6-8-4-2-1-3-5-8/h3-12,15H,2H2,1H3;1-7H,(H2,10,11)/b;7-6+
InChIKeyOYHNKQFNGYTONP-UETGHTDLSA-N
XLogP5.41
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-phenylprop-2-enamide;prop-2-enamide
CID 66955302
1-phenylpropan-1-ol;3-phenylprop-2-enoic acid
CID 174889683
N,N-dideuterio-3-phenylprop-2-enamide
CID 138396103
3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enamide
CID 2749161
4-(aminomethyl)-1-phenylhex-1-en-3-one
CID 174415908
(E)-3-(4-ethylphenyl)prop-2-enamide
CID 19347567
ethanol;3-phenylprop-2-enoic acid
CID 158830805
ethane;(E)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 142207666
(2E,6Z)-7-phenylhepta-2,6-dienamide
CID 70372296
(E)-3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enoic acid
CID 169482234
ethyl carbamate;(E)-3-phenylprop-2-enoic acid
CID 70467325
(E)-3-[4-(4-phenylbutyl)phenyl]prop-2-enamide
CID 141109244

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenylprop-2-enamide;1-phenylpropylbenzene?
The IUPAC name of (E)-3-phenylprop-2-enamide;1-phenylpropylbenzene (CID 142088142) is (E)-3-phenylprop-2-enamide;1-phenylpropylbenzene.
What is the SMILES notation for (E)-3-phenylprop-2-enamide;1-phenylpropylbenzene?
The canonical SMILES for (E)-3-phenylprop-2-enamide;1-phenylpropylbenzene is CCC(c1ccccc1)c1ccccc1.NC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-3-phenylprop-2-enamide;1-phenylpropylbenzene?
The InChIKey is OYHNKQFNGYTONP-UETGHTDLSA-N. The full InChI is InChI=1S/C15H16.C9H9NO/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;10-9(11)7-6-8-4-2-1-3-5-8/h3-12,15H,2H2,1H3;1-7H,(H2,10,11)/b;7-6+.
What are the key properties of (E)-3-phenylprop-2-enamide;1-phenylpropylbenzene?
(E)-3-phenylprop-2-enamide;1-phenylpropylbenzene has a molecular weight of 343.47 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenylprop-2-enamide;1-phenylpropylbenzene is sourced from PubChem (CID 142088142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).